2-methyl-6-prop-2-enoxypyridazin-3-one

C8H10N2O2 — CID 126954647

IUPAC2-methyl-6-prop-2-enoxypyridazin-3-one
SMILESC=CCOc1ccc(=O)n(C)n1
InChIInChI=1S/C8H10N2O2/c1-3-6-12-7-4-5-8(11)10(2)9-7/h3-5H,1,6H2,2H3
InChIKeyIVPZCOCWZYIYPS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.35
Rot. Bonds3

About 2-methyl-6-prop-2-enoxypyridazin-3-one

2-methyl-6-prop-2-enoxypyridazin-3-one (PubChem CID 126954647) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-6-prop-2-enoxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-prop-2-enoxypyridazin-3-one
PubChem CID126954647
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methyl-6-prop-2-enoxypyridazin-3-one
SMILESC=CCOc1ccc(=O)n(C)n1
InChIInChI=1S/C8H10N2O2/c1-3-6-12-7-4-5-8(11)10(2)9-7/h3-5H,1,6H2,2H3
InChIKeyIVPZCOCWZYIYPS-UHFFFAOYSA-N
XLogP0.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-prop-2-enoxypyridazin-3-one?
The IUPAC name of 2-methyl-6-prop-2-enoxypyridazin-3-one (CID 126954647) is 2-methyl-6-prop-2-enoxypyridazin-3-one.
What is the SMILES notation for 2-methyl-6-prop-2-enoxypyridazin-3-one?
The canonical SMILES for 2-methyl-6-prop-2-enoxypyridazin-3-one is C=CCOc1ccc(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-prop-2-enoxypyridazin-3-one?
The InChIKey is IVPZCOCWZYIYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-6-12-7-4-5-8(11)10(2)9-7/h3-5H,1,6H2,2H3.
What are the key properties of 2-methyl-6-prop-2-enoxypyridazin-3-one?
2-methyl-6-prop-2-enoxypyridazin-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-2-enoxypyridazin-3-one is sourced from PubChem (CID 126954647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).